N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine

C14H16N2O4 — CID 154075799

IUPACN-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine
SMILESCCc1ccc(C(=NO)C(=NO)c2ccc(CC)o2)o1
InChIInChI=1S/C14H16N2O4/c1-3-9-5-7-11(19-9)13(15-17)14(16-18)12-8-6-10(4-2)20-12/h5-8,17-18H,3-4H2,1-2H3
InChIKeyLLUKMLUPXCQHTC-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.05
Rot. Bonds5

About N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine

N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine (PubChem CID 154075799) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine
PubChem CID154075799
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine
SMILESCCc1ccc(C(=NO)C(=NO)c2ccc(CC)o2)o1
InChIInChI=1S/C14H16N2O4/c1-3-9-5-7-11(19-9)13(15-17)14(16-18)12-8-6-10(4-2)20-12/h5-8,17-18H,3-4H2,1-2H3
InChIKeyLLUKMLUPXCQHTC-UHFFFAOYSA-N
XLogP3.05
TPSA91.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[bis(5-ethylfuran-2-yl)methylideneamino]methanamine
CID 170990920
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethylfuran-2-carboxamide
CID 79084469
1-(5-ethylfuran-2-yl)prop-2-yn-1-one
CID 114978456
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide
CID 78981155
(NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine
CID 10559364
(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone
CID 107000752
2-cyclopropyl-1-(5-ethylfuran-2-yl)ethanone
CID 62346024
1-(5-ethylfuran-2-yl)heptan-1-one
CID 114752170
3-chloro-3-(5-ethylfuran-2-yl)prop-2-enenitrile
CID 79095316

Frequently Asked Questions

What is the IUPAC name of N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine?
The IUPAC name of N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine (CID 154075799) is N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine.
What is the SMILES notation for N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine?
The canonical SMILES for N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine is CCc1ccc(C(=NO)C(=NO)c2ccc(CC)o2)o1.
What is the InChIKey of N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine?
The InChIKey is LLUKMLUPXCQHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-9-5-7-11(19-9)13(15-17)14(16-18)12-8-6-10(4-2)20-12/h5-8,17-18H,3-4H2,1-2H3.
What are the key properties of N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine?
N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine has a molecular weight of 276.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine is sourced from PubChem (CID 154075799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).